SCHEMBL29324598

SCHEMBL29324598

Nc1nc2c(ncn2[C@H]2CC[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)cncc5c4=O)O[C@@H]3COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ FUT5 Q11128 1/20 0.47
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ P2RY1 P47900 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ NT5E P21589 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ TERT O14746 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ KRAS P01116 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20782763 0.91 POLB (0.58) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL23679394 0.88 TAS1R3 (0.52) FUT5P2RY2P2RY4P2RY6TGM2
SCHEMBL20324811 0.87 POLB (0.52) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20324868 0.86 TERT (0.53) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL21540009 0.86 TERT (0.53) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20325223 0.86 TERT (0.53) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20782764 0.86 TERT (0.53) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL23679395 0.85 POLB (0.49) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL21540026 0.84 POLB (0.53) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20326987 0.84 POLB (0.51) POLBFUT5P2RY2P2RY4P2RY6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
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